4-amino-N-methyl-3-[methyl(propyl)amino]butanamide

C9H21N3O — CID 66426282

IUPAC4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
SMILESCCCN(C)C(CN)CC(=O)NC
InChIInChI=1S/C9H21N3O/c1-4-5-12(3)8(7-10)6-9(13)11-2/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyWCQJCNFTTKBUNK-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds6

About 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide

4-amino-N-methyl-3-[methyl(propyl)amino]butanamide (PubChem CID 66426282) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
PubChem CID66426282
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
SMILESCCCN(C)C(CN)CC(=O)NC
InChIInChI=1S/C9H21N3O/c1-4-5-12(3)8(7-10)6-9(13)11-2/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyWCQJCNFTTKBUNK-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
CID 66431224
4-amino-N-methyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanamide
CID 66427575
4-amino-3-[ethyl(2-methoxyethyl)amino]-N-methylbutanamide
CID 66427989
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
CID 66430981
4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66429259
4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide
CID 66427355
4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
CID 79303980
4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
CID 66427576
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
CID 104556890
4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide
CID 66427616

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide?
The IUPAC name of 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide (CID 66426282) is 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide?
The canonical SMILES for 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide is CCCN(C)C(CN)CC(=O)NC.
What is the InChIKey of 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide?
The InChIKey is WCQJCNFTTKBUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-5-12(3)8(7-10)6-9(13)11-2/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide?
4-amino-N-methyl-3-[methyl(propyl)amino]butanamide has a molecular weight of 187.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[methyl(propyl)amino]butanamide is sourced from PubChem (CID 66426282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).